Information card for entry 7026785

Structure parameters

• Formula: C19 H17 F3 Fe2 O6 S
• Calculated formula: C19 H17 F3 Fe2 O6 S
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]1672345(C(=O)[Fe]23457([cH]7[cH]2[cH]3[cH]4[cH]57)(C#[O])C1[CH]6=[C](C)C)C#[O].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Cationic diiron and diruthenium μ-allenyl complexes: synthesis, X-ray structures and cyclization reactions with ethyldiazoacetate/amine affording unprecedented butenolide- and furaniminium-substituted bridging carbene ligands.
• Authors of publication: Boni, Adriano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 10866 - 10875
• a: 10.6193 ± 0.0015 Å
• b: 21.194 ± 0.003 Å
• c: 9.5464 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2148.6 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No